CID 12467

1,2,3,5-tetrabromobenzene

Structural Information

Molecular Formula
C6H2Br4
SMILES
C1=C(C=C(C(=C1Br)Br)Br)Br
InChI
InChI=1S/C6H2Br4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKey
YPFCYPZKFQPCOC-UHFFFAOYSA-N
Compound name
1,2,3,5-tetrabromobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

647
Patents

389.689 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.69628 141.9
[M+Na]+ 412.67822 149.0
[M-H]- 388.68172 146.3
[M+NH4]+ 407.72282 153.2
[M+K]+ 428.65216 135.9
[M+H-H2O]+ 372.68626 160.4
[M+HCOO]- 434.68720 148.3
[M+CH3COO]- 448.70285 233.0
[M+Na-2H]- 410.66367 145.6
[M]+ 389.68845 180.4
[M]- 389.68955 180.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe